Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
2.2535 0.5823 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3338 -0.5910 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0512 -0.1729 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0212 -0.5334 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3822 -0.1303 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3658 -0.4360 -0.8828 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6756 0.6187 0.9829 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2498 0.1921 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8433 1.2446 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3359 1.1052 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7198 -1.2112 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3118 -1.2833 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2795 0.4117 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8476 -1.1147 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4248 1.3181 1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers